[
  {
    "molid": "mol26282",
    "smiles": "O=c1nc(-c2ccccc2)c2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1nc(-c2ccccc2)c2ccccc2[nH]1",
        "std_free_energy": -6.812341213226318,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=c1[nH]c2ccccc2c(-c2ccccc2)[nH+]1",
        "std_free_energy": 3.371891975402832,
        "relative_population": 0.9997696905539067
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1nc(-c2ccccc2)c2ccccc2[n-]1",
        "std_free_energy": 0.47083258628845215,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.87,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]